A0060859 Screening compound: N,3-dicyclohexyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

A0060859 Screening compound: N,3-dicyclohexyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
A0060859 Screening compound: N,3-dicyclohexyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0060859
N,3-dicyclohexyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

A0060859

Molecular Formula

C21H27N3O2S (C21 H27 N3 O2 S)

Compound Name

N,3-dicyclohexyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

N3-dicyclohexyl-4-oxo-2-sulfanylidene-1234-tetrahydroquinazoline-7-carboxamide

SMILES

O=C(c(cc1)cc(NC(N2C3CCCCC3)=S)c1C2=O)NC1CCCCC1

InChI

InChI=1S/C21H27N3O2S/c25-19(22-15-7-3-1-4-8-15)14-11-12-17-18(13-14)23-21(27)24(20(17)26)16-9-5-2-6-10-16/h11-13,15-16H,1-10H2,(H,22,25)(H,23,27)

InChI Key

QNTIOXOMIRPVCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.452

Distribution Coefficient, logD

4.451

Water Solubility, LogSw

-4.40

Polar Surface Area

50.678

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

A0060859 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with A0060859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0060859?
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What is the minimum amount of A0060859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0060859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0060859
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of A0060859 available by request